N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide

C23H30FN3O4Si — CID 140781112

IUPACN-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCOc1ccc(C(NC(=O)N2CCC(O)C2)C(=O)Nc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C23H30FN3O4Si/c1-31-18-8-5-15(6-9-18)21(26-23(30)27-12-11-17(28)14-27)22(29)25-16-7-10-20(19(24)13-16)32(2,3)4/h5-10,13,17,21,28H,11-12,14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyVQZNRBRSFQDZMG-UHFFFAOYSA-N
MW459.59 g/mol
LogP2.84
Rot. Bonds6

About N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide

N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 140781112) has the molecular formula C23H30FN3O4Si and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide
PubChem CID140781112
Molecular FormulaC23H30FN3O4Si
Molecular Weight459.59 g/mol
Exact Mass459.20
IUPAC NameN-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCOc1ccc(C(NC(=O)N2CCC(O)C2)C(=O)Nc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C23H30FN3O4Si/c1-31-18-8-5-15(6-9-18)21(26-23(30)27-12-11-17(28)14-27)22(29)25-16-7-10-20(19(24)13-16)32(2,3)4/h5-10,13,17,21,28H,11-12,14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyVQZNRBRSFQDZMG-UHFFFAOYSA-N
XLogP2.84
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[2-[3-fluoro-4-(pentamethyl-λ6-sulfanyl)anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide
CID 121321363
(3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide
CID 162043493
N-[2-[3,5-difluoro-4-(trimethyl-λ4-sulfanyl)anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxyazetidine-1-carboxamide
CID 129055149
2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406830
N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781121
(3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide
CID 124567707
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
(3S)-3-hydroxy-N-[(1R)-2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 100693227
N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide
CID 140781164
(3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 146596384
(3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 95267023
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 140781135

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide (CID 140781112) is N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide is COc1ccc(C(NC(=O)N2CCC(O)C2)C(=O)Nc2ccc([Si](C)(C)C)c(F)c2)cc1.
What is the InChIKey of N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is VQZNRBRSFQDZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O4Si/c1-31-18-8-5-15(6-9-18)21(26-23(30)27-12-11-17(28)14-27)22(29)25-16-7-10-20(19(24)13-16)32(2,3)4/h5-10,13,17,21,28H,11-12,14H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide?
N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 140781112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).